8WGK

Crystal structure of Rhodothermus marinus substrate-binding protein (Br soaking)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-25
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.231, 49.129, 57.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.870 - 1.750
R-factor	0.226
Rwork	0.222
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.838
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.064	0.355
Number of reflections	13670	681
<I/σ(I)>	36.47
Completeness [%]	97.4
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	HEPES , Polyethylene glycol 3,350